Basic information
- CAS
61938-54-3- Standard SMILES
O=C1COS(=O)N1c1ccc(Cl)cc1- InChIKey
AIWQLTJTUUXHQV-UHFFFAOYSA-N- Molecular formula
- C8H6ClNO3S
- Average molar mass
- 231.66 g/mol
- Monoisotopic mass
- 230.9756919
Names & identifiers
- Preferred name
- 3-(4-Chlorophenyl)-1,2lambda~4~,3-oxathiazolidine-2,4-dione
- IUPAC
- 3-(4-chlorophenyl)-2-oxooxathiazolidin-4-one
Names & synonyms
61938-54-3DTXSID404953553-(4-Chlorophenyl)-1,2lambda~4~,3-oxathiazolidine-2,4-dione
Database identifiers
- CAS
61938-54-3- PubChem CID
- 12379280
- DTXSID
DTXSID40495355
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 65.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 265
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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